Receptor
PDB id Resolution Class Description Source Keywords
2XQQ 1.31 Å NON-ENZYME: OTHER HUMAN DYNEIN LIGHT CHAIN (DYNLL2) IN COMPLEX WITH AN IN VITR PEPTIDE (AC-SRGTQTE). HOMO SAPIENS PROTEIN TRANSPORT DIMER INTERFACE
Ref.: DIRECTED EVOLUTION REVEALS THE BINDING MOTIF PREFER THE LC8/DYNLL HUB PROTEIN AND PREDICTS LARGE NUMBER NOVEL BINDERS IN THE HUMAN PROTEOME PLOS ONE V. 6 18818 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT B:1090;
 Invalid;
 none;
 submit data
59.044 C2 H3 O2 CC(=O...
SAC ARG GLY THR GLN THR GLU E:1;
F:1;
G:1;
H:1;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 Kd = 15.2 uM
818.819 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2XQQ 1.31 Å NON-ENZYME: OTHER HUMAN DYNEIN LIGHT CHAIN (DYNLL2) IN COMPLEX WITH AN IN VITR PEPTIDE (AC-SRGTQTE). HOMO SAPIENS PROTEIN TRANSPORT DIMER INTERFACE
Ref.: DIRECTED EVOLUTION REVEALS THE BINDING MOTIF PREFER THE LC8/DYNLL HUB PROTEIN AND PREDICTS LARGE NUMBER NOVEL BINDERS IN THE HUMAN PROTEOME PLOS ONE V. 6 18818 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 2XQQ Kd = 15.2 uM SAC ARG GLY THR GLN THR GLU n/a n/a
2 3DVP - THR PRO THR ARG ASP VAL ALA THR SER PRO n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 2XQQ Kd = 15.2 uM SAC ARG GLY THR GLN THR GLU n/a n/a
2 3DVP - THR PRO THR ARG ASP VAL ALA THR SER PRO n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 2XQQ Kd = 15.2 uM SAC ARG GLY THR GLN THR GLU n/a n/a
2 3DVP - THR PRO THR ARG ASP VAL ALA THR SER PRO n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SAC ARG GLY THR GLN THR GLU; Similar ligands found: 69
No: Ligand ECFP6 Tc MDL keys Tc
1 SAC ARG GLY THR GLN THR GLU 1 1
2 ARG ARG ARG GLU THR GLN VAL 0.582524 0.907407
3 ACE GLU ALA GLN THR ARG LEU 0.581818 0.907407
4 THR ARG ARG GLU THR GLN LEU 0.570093 0.890909
5 ARG LEU GLN ARG ARG ARG GLU THR GLN VAL 0.535088 0.890909
6 ALA ARG THR MLY GLN 0.522936 0.790323
7 GLU ALA GLN THR ARG LEU 0.521739 0.888889
8 PHE ALA GLY LEU ARG GLN ALA VAL THR GLN 0.504274 0.907407
9 ALA ARG THR M3L GLN THR ALA ARG 0.495726 0.78125
10 ILE GLN GLN SER ILE GLU ARG ILE 0.491379 0.872727
11 SER SER THR ARG GLY ILE SER GLN LEU TRP 0.486301 0.772727
12 ALA ARG THR ALY GLN THR ALA 0.482456 0.890909
13 GLU ARG GLY MET THR 0.477876 0.824561
14 ALA ARG THR GLU LEU TYR ARG SER LEU 0.476923 0.819672
15 ALA GLN THR ALA ARG ALY SER THR 0.471545 0.909091
16 LEU GLU LYS ALA ARG GLY SER THR TYR 0.468531 0.822581
17 ACE ALA ARG THR GLU VAL TYR NH2 0.467742 0.813559
18 THR ILE MET MET GLN ARG GLY 0.466102 0.830508
19 ACE GLN THR ALA ARG PRK SER THR 0.463415 0.909091
20 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.461538 0.790323
21 LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL 0.458333 0.818182
22 ALA ARG THR MLZ GLN THR ALA ARG LYS TYR 0.457627 0.827586
23 ALA ARG THR MLY GLN THR ALA ARG LYS 0.457627 0.774194
24 ALA ARG M3L SER THR GLY GLY ALY 0.457364 0.8125
25 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.456897 0.765625
26 ALA ARG MLZ SER THR GLY GLY ALY 0.453846 0.896552
27 ALA ARG MLY SER THR GLY GLY ALY 0.453846 0.83871
28 ALA ARG THR M3L GLN THR ALA ARG LYS SER 0.452991 0.765625
29 GLU THR VAL ARG PHE GLN SER ASP 0.447761 0.875
30 ALA ARG THR MLY GLN THR ALA ARG TYR 0.44697 0.735294
31 GLN ARG SER THR SEP THR 0.446281 0.847458
32 ALA ASN SER ARG TRP GLN VAL THR ARG VAL 0.445255 0.757576
33 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.4375 0.78125
34 ACE GLN THR ALA ARG KCR SER THR 0.4375 0.890909
35 ACE GLN THR ALA ARG BTK SER THR 0.435484 0.875
36 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.433333 0.704225
37 ALA ASN SER ARG VAL GLN ASP SER ILE ILE 0.433071 0.859649
38 SER ARG ILE ARG ILE ARG GLY TYR VAL ARG 0.431818 0.822581
39 ALA ARG THR LYS GLN THR ALA ARG LYS 0.430894 0.888889
40 ALA DA2 THR M3L GLN THR ALA ARG ALA 0.42963 0.78125
41 ALA ARG THR MLY GLN THR ALA ARG LYS SER 0.428571 0.886792
42 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.428571 0.844828
43 PRO ALA THR ILE MET MET GLN ARG GLY ASN 0.42623 0.813559
44 ACE ILE GLU SER THR GLU ILE 0.425926 0.777778
45 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.423841 0.761194
46 ACE GLN GLU ARG GLU VAL PRO CYS 0.423077 0.671642
47 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.422819 0.746269
48 ACE ASP LEU GLN THR SER ILE 0.422414 0.781818
49 HIS MET THR GLU VAL VAL ARG ARG CYS 0.421429 0.720588
50 GLU GLU PHE GLY ARG ALA PHE SER PHE 0.419118 0.842105
51 LYS GLN THR SER VAL 0.417476 0.792453
52 GLU ARG GLY SER GLY ARG 0.417391 0.90566
53 ALA ARG THR MLY GLN THR ALA ARG MLY SER 0.415254 0.774194
54 ACE GLN LEU VAL THR SER LEU 0.414414 0.796296
55 ALA SER ASN GLU ASN MET GLU THR MET 0.413793 0.728814
56 ALA ARG THR LYS GLN THR ALA ARG 0.413793 0.87037
57 ACE GLY VAL NLE ARG ILE NH2 0.412281 0.732143
58 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.410596 0.746269
59 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.410072 0.746269
60 ARG ARG GLU VAL HIS THR TYR TYR 0.409722 0.720588
61 ALA ARG 9AT 0.408163 0.884615
62 ALA GLN PHE SER ALA SER ALA SER ARG 0.408 0.890909
63 2NC 0.404762 0.842105
64 ARG GLY TYR VAL TYR GLN GLY LEU 0.404412 0.741935
65 HIS MET THR GLU VAL VAL ARG HIS CYS 0.40411 0.710145
66 ALA VAL TYR ASP GLY ARG GLU HIS THR VAL 0.403974 0.746269
67 ALA ASN SER ARG TRP GLN THR SER ILE ILE 0.403974 0.757576
68 ASN ASN LEU GLN ASP GLY THR GLU VAL 0.4 0.773585
69 ALA SER ASN GLU ASP MET GLU THR MET 0.4 0.728814
Similar Ligands (3D)
Ligand no: 1; Ligand: SAC ARG GLY THR GLN THR GLU; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XQQ; Ligand: SAC ARG GLY THR GLN THR GLU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2xqq.bio3) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2XQQ; Ligand: SAC ARG GLY THR GLN THR GLU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2xqq.bio3) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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